1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-[(5-nitro-1-phenyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(5-nitro-1-phenylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5-nitro-1-phenyl-benzimidazol-2-yl)thio]ethanone Formula: C26H22N4O4S MolecularWeight: 486.54228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CSC3=NC4=C(N3C5=CC=CC=C5)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CSC3=NC4=C(N3C5=CC=CC=C5)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H22N4O4S/c1-17-13-22(18(2)28(17)15-21-9-6-12-34-21)25(31)16-35-26-27-23-14-20(30(32)33)10-11-24(23)29(26)19-7-4-3-5-8-19/h3-14H,15-16H2,1-2H3